| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=[N+]([O-])c1ccccc1COC(C(=O)O)C(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O7/c12-8(10(14)15)9(11(16)17)20-5-6-3-1-2-4-7(6)13(18)19/h1-4,8-9H,5,12H2,(H,14,15)(H,16,17)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | HNODNICZBKOFOC-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@H](OCc1ccccc1[N+]([O-])=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](OCc1ccccc1[N+]([O-])=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)COC(C(C(=O)O)N)C(=O)O)[N+](=O)[O-] |
